1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine

C13H26N2 — CID 61443451

IUPAC1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine
SMILESCCCCN(CC(C)(N)C1CC1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-4-9-15(12-7-8-12)10-13(2,14)11-5-6-11/h11-12H,3-10,14H2,1-2H3
InChIKeyAGYRDMWDQDGMOW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds7

About 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine

1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine (PubChem CID 61443451) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine
PubChem CID61443451
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine
SMILESCCCCN(CC(C)(N)C1CC1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-4-9-15(12-7-8-12)10-13(2,14)11-5-6-11/h11-12H,3-10,14H2,1-2H3
InChIKeyAGYRDMWDQDGMOW-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine (CID 61443451) is 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine is CCCCN(CC(C)(N)C1CC1)C1CC1.
What is the InChIKey of 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine?
The InChIKey is AGYRDMWDQDGMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-4-9-15(12-7-8-12)10-13(2,14)11-5-6-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine?
1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine is sourced from PubChem (CID 61443451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).